1-adamantyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: 1-adamantyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: 1-adamantyl (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid 1-adamantyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO4/c1-23(2,3)29-22(27)25-20(12-16-7-5-4-6-8-16)21(26)28-24-13-17-9-18(14-24)11-19(10-17)15-24/h4-8,17-20H,9-15H2,1-3H3,(H,25,27)/t17?,18?,19?,20-,24?/m0/s1